Molecule

ID:3152

General Information
Structure
Molecular Formula
C₂₀H₁₈N₂
Molecular Mass
286.37032
Exact Mass
286.14699859
Charge
0
InChI
InChI=1S/C20H18N2/c21-20(22)17-9-7-14-10-16(8-6-15(14)11-17)19-12-18(19)13-4-2-1-3-5-13/h1-11,18-19H,12H2,(H3,21,22)/t18-,19-/m0/s1
InChIKey
NQRIWXVAIWPBEM-OALUTQOASA-N
Canonic Smiles
NC(=N)c1ccc2c(c1)ccc(c2)[C@@H]1C[C@H]1c1ccccc1
Isomeric Smiles
c1(cc2c(cc1)cc(cc2)C(=N)N)[C@H]1[C@H](c2ccccc2)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6700106
LogD (pH = 7.4)
1.6832879
Log P
4.0852976
Molar Refractivity
101.2129
Polarizability
35.90005
Polar Surface Area
49.87
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.06
LOG S
-5.86
Solubility (Water)
3.95e-04 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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